3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide

C19H24FN3OS — CID 3242712

IUPAC3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(F)c1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C19H24FN3OS/c1-14(21-19(24)15-5-3-6-16(20)13-15)18(17-7-4-12-25-17)23-10-8-22(2)9-11-23/h3-7,12-14,18H,8-11H2,1-2H3,(H,21,24)
InChIKeyNBGLPDCBMGWWGU-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.99
Rot. Bonds5

About 3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide

3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 3242712) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID3242712
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(F)c1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C19H24FN3OS/c1-14(21-19(24)15-5-3-6-16(20)13-15)18(17-7-4-12-25-17)23-10-8-22(2)9-11-23/h3-7,12-14,18H,8-11H2,1-2H3,(H,21,24)
InChIKeyNBGLPDCBMGWWGU-UHFFFAOYSA-N
XLogP2.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (CID 3242712) is 3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is CC(NC(=O)c1cccc(F)c1)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of 3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is NBGLPDCBMGWWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-14(21-19(24)15-5-3-6-16(20)13-15)18(17-7-4-12-25-17)23-10-8-22(2)9-11-23/h3-7,12-14,18H,8-11H2,1-2H3,(H,21,24).
What are the key properties of 3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 361.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 3242712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).